N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide

C10H18N4O — CID 79202997

IUPACN,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCNCC(C)C(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C10H18N4O/c1-8(4-11-2)10(15)14(3)7-9-5-12-13-6-9/h5-6,8,11H,4,7H2,1-3H3,(H,12,13)
InChIKeyLUWJTYFMLNSUJL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.22
Rot. Bonds5

About N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide

N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 79202997) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID79202997
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCNCC(C)C(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C10H18N4O/c1-8(4-11-2)10(15)14(3)7-9-5-12-13-6-9/h5-6,8,11H,4,7H2,1-3H3,(H,12,13)
InChIKeyLUWJTYFMLNSUJL-UHFFFAOYSA-N
XLogP0.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 79202997) is N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide is CNCC(C)C(=O)N(C)Cc1cn[nH]c1.
What is the InChIKey of N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is LUWJTYFMLNSUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(4-11-2)10(15)14(3)7-9-5-12-13-6-9/h5-6,8,11H,4,7H2,1-3H3,(H,12,13).
What are the key properties of N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide?
N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 79202997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).